General Information of the Compound
| Compound ID |
CP0533213
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| Compound Name |
2-({2-cyclobutyl-4-[4-(2-methoxy- phenyl)-piperidin-1-yl]- quinazolin-6-yl}-methyl-amino)- ethanol
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| Structure |
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| Formula |
C27H34N4O2
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| Molecular Weight |
446.595
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)CCO)C1CCC1
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| InChI |
InChI=1S/C27H34N4O2/c1-30(16-17-32)21-10-11-24-23(18-21)27(29-26(28-24)20-6-5-7-20)31-14-12-19(13-15-31)22-8-3-4-9-25(22)33-2/h3-4,8-11,18-20,32H,5-7,12-17H2,1-2H3
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| InChIKey |
HCJYFGCUTBRVGA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound